BE1218 is a liver X receptor (LXR) inverse agonist with IC50s of 9 nM and 7 nM for LXRα and LXRβ, respectively.

Physicochemical Properties

Molecular Formula	C30H30FNO4S2
Molecular Weight	551.691909313202
Exact Mass	551.16
Elemental Analysis	C, 65.31; H, 5.48; F, 3.44; N, 2.54; O, 11.60; S, 11.62
CAS #	2893967-40-1
PubChem CID	164887446
Appearance	White to off-white solid powder
LogP	6.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	38
Complexity	955
Defined Atom Stereocenter Count	0
SMILES	S(C1C(C)=CC(C)=CC=1C)(N(CC1C=CC=CC=1F)CC1C=CC(C2C=CC=C(C=2)S(C)(=O)=O)=CC=1)(=O)=O
InChi Key	YZKNHPOMZOAMSW-UHFFFAOYSA-N
InChi Code	InChI=1S/C30H30FNO4S2/c1-21-16-22(2)30(23(3)17-21)38(35,36)32(20-27-8-5-6-11-29(27)31)19-24-12-14-25(15-13-24)26-9-7-10-28(18-26)37(4,33)34/h5-18H,19-20H2,1-4H3
Chemical Name	N-(2-fluorobenzyl)-2,4,6-trimethyl-N-((3'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl)methyl)benzenesulfonamide
Synonyms	BE1218; BE-1218; BE 1218;
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

References

[1]. Synthesis and structure activity relationship of the first class of LXR inverse agonists. Bioorg Chem. 2022 Feb;119:105540.

Solubility Data

Solubility (In Vitro)

DMSO : ~33.33 mg/mL (~60.41 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (4.53 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.8126 mL	9.0631 mL	18.1261 mL
	5 mM	0.3625 mL	1.8126 mL	3.6252 mL
	10 mM	0.1813 mL	0.9063 mL	1.8126 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.